Geometry & MOs

Info

ID:	241040
PubChem CID:	93621332
Reduced:	ClSO2N3C14H20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	329.096476
ΔH_f, kcal/mol:	-65.44
Dipole, Da:	5.56
IP(EA), eV:	-9.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[(3S)-2-oxoazepan-3-yl]urea

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(S1)Cl)C(=O)N[C@@H]2CCCCNC2=O

DOS

IR

Vibrations